5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol

C20H23N5O — CID 166151232

IUPAC5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol
SMILESCc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1
InChIInChI=1S/C20H23N5O/c1-13-10-17(26)19(21-11-13)18-15-7-3-4-8-16(15)20(24-23-18)22-14-6-5-9-25(2)12-14/h3-4,7-8,10-11,14,26H,5-6,9,12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPCUPBMFHUSEREU-CQSZACIVSA-N
MW349.44 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol

5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol (PubChem CID 166151232) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol
PubChem CID166151232
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol
SMILESCc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1
InChIInChI=1S/C20H23N5O/c1-13-10-17(26)19(21-11-13)18-15-7-3-4-8-16(15)20(24-23-18)22-14-6-5-9-25(2)12-14/h3-4,7-8,10-11,14,26H,5-6,9,12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPCUPBMFHUSEREU-CQSZACIVSA-N
XLogP3.21
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol with MolForge

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Related Compounds

1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419391
7-(6-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinolin-6-ol
CID 136607554
2-[6-[[1-(4-Benzylphthalazin-1-yl)piperidin-3-yl]amino]-3-pyridinyl]propan-2-ol
CID 127043397
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 1-phthalazinylhydrazone
CID 135465900
4-[(E)-[[4-[(2E)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 136186021
2-[5-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[2,3-d]pyridazin-8-yl]-5-(trifluoromethyl)phenol
CID 166518684
US11970463, Example 75
CID 167292657
US11970463, Example 76
CID 167292883
Vatalanib metabolite M27
CID 135444587
6-[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]pyridin-3-ol
CID 136439389
6-[6-[[1-(3-Fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]pyridin-3-ol
CID 136613164
5-(7-Fluoro-2-methylindazol-5-yl)-2-[6-(3-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 155287111

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
The IUPAC name of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol (CID 166151232) is 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol.
What is the SMILES notation for 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
The canonical SMILES for 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol is Cc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
The InChIKey is PCUPBMFHUSEREU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-10-17(26)19(21-11-13)18-15-7-3-4-8-16(15)20(24-23-18)22-14-6-5-9-25(2)12-14/h3-4,7-8,10-11,14,26H,5-6,9,12H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol has a molecular weight of 349.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol is sourced from PubChem (CID 166151232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).